General Information of the Compound
| Compound ID |
CP0967910
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| Compound Name |
{2-[3-Fluoro-2-(pyrazin-2-ylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C19H17FN8S
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| Molecular Weight |
408.466
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| Canonical SMILES |
Fc1c(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccnc1Nc1cnccn1
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| InChI |
InChI=1S/C19H17FN8S/c20-15-12(2-5-24-18(15)27-14-10-22-6-7-23-14)17-26-13-3-8-29-16(13)19(28-17)25-11-1-4-21-9-11/h2-3,5-8,10-11,21H,1,4,9H2,(H,23,24,27)(H,25,26,28)/t11-/m1/s1
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| InChIKey |
SJJXFZANXTVIMI-LLVKDONJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound